Home Halogens Ethyl 5-bromo-3-ethoxy-1H-pyrazole-4-carboxylate

Ethyl 5-bromo-3-ethoxy-1H-pyrazole-4-carboxylate

CAS No.:
1207431-91-1
Catalog Number:
AG01EN6F
Molecular Formula:
C8H11BrN2O3
Molecular Weight:
263.0885
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$48
- +
250mg
97%
1 week
United States
$73
- +
1g
97%
1 week
United States
$196
- +
Product Description
Catalog Number:
AG01EN6F
Chemical Name:
Ethyl 5-bromo-3-ethoxy-1H-pyrazole-4-carboxylate
CAS Number:
1207431-91-1
Molecular Formula:
C8H11BrN2O3
Molecular Weight:
263.0885
MDL Number:
MFCD28955114
IUPAC Name:
ethyl 3-bromo-5-ethoxy-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C8H11BrN2O3/c1-3-13-7-5(6(9)10-11-7)8(12)14-4-2/h3-4H2,1-2H3,(H,10,11)
InChI Key:
QZZAPVACMLDERF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Br)[nH]nc1OCC
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.995g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.091g/mol
Monoisotopic Mass:
261.995g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties